(2S)-2-(4-fluoro-3-nitrophenyl)azetidine

C9H9FN2O2 — CID 55278282

IUPAC(2S)-2-(4-fluoro-3-nitrophenyl)azetidine
SMILESO=[N+]([O-])c1cc([C@@H]2CCN2)ccc1F
InChIInChI=1S/C9H9FN2O2/c10-7-2-1-6(8-3-4-11-8)5-9(7)12(13)14/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKeyXVRWBDJZDKKWKH-QMMMGPOBSA-N
MW196.18 g/mol
LogP1.77
Rot. Bonds2

About (2S)-2-(4-fluoro-3-nitrophenyl)azetidine

(2S)-2-(4-fluoro-3-nitrophenyl)azetidine (PubChem CID 55278282) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is (2S)-2-(4-fluoro-3-nitrophenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(4-fluoro-3-nitrophenyl)azetidine
PubChem CID55278282
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name(2S)-2-(4-fluoro-3-nitrophenyl)azetidine
SMILESO=[N+]([O-])c1cc([C@@H]2CCN2)ccc1F
InChIInChI=1S/C9H9FN2O2/c10-7-2-1-6(8-3-4-11-8)5-9(7)12(13)14/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKeyXVRWBDJZDKKWKH-QMMMGPOBSA-N
XLogP1.77
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2S)-azetidin-2-yl]-2-nitrophenol;hydrochloride
CID 171196666
(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride
CID 171193204
(2S)-2-(3-methyl-4-nitrophenyl)azetidine
CID 130744358
2-(3-methyl-4-nitrophenyl)azetidine
CID 130043332
5-[(2R)-azetidin-2-yl]-3-nitrobenzene-1,2-diol
CID 131543750
(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride
CID 171196811
(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine
CID 66518975
2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66518857
(2R)-2-(4-chloro-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195947
(2S)-2-(4-bromo-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171196352
5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine
CID 130648559
(4S)-4-(4-fluoro-3-nitrophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoro-3-nitrophenyl)azetidine?
The IUPAC name of (2S)-2-(4-fluoro-3-nitrophenyl)azetidine (CID 55278282) is (2S)-2-(4-fluoro-3-nitrophenyl)azetidine.
What is the SMILES notation for (2S)-2-(4-fluoro-3-nitrophenyl)azetidine?
The canonical SMILES for (2S)-2-(4-fluoro-3-nitrophenyl)azetidine is O=[N+]([O-])c1cc([C@@H]2CCN2)ccc1F.
What is the InChIKey of (2S)-2-(4-fluoro-3-nitrophenyl)azetidine?
The InChIKey is XVRWBDJZDKKWKH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-7-2-1-6(8-3-4-11-8)5-9(7)12(13)14/h1-2,5,8,11H,3-4H2/t8-/m0/s1.
What are the key properties of (2S)-2-(4-fluoro-3-nitrophenyl)azetidine?
(2S)-2-(4-fluoro-3-nitrophenyl)azetidine has a molecular weight of 196.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoro-3-nitrophenyl)azetidine is sourced from PubChem (CID 55278282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).